SCHEMBL4407741

SCHEMBL4407741

CC(C)(CN1C[C@@H]2CC(c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)=C[C@@H]2C1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.34
CDK9 P50750 10/20 0.33
CCNT1 O60563 8/20 0.33
HTR2C P28335 2/20 0.30
DRD2 P14416 1/20 0.30
MAP4K4 O95819 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL988284 0.85 CDK9 (0.41) KCNN4CDK9CCNT1
SCHEMBL988283 0.85 CDK9 (0.41) KCNN4CDK9CCNT1
SCHEMBL4405216 0.83 CCNT1 (0.38) KCNN4CDK9CCNT1HTR2CDRD2
SCHEMBL4412355 0.83 KCNN4 (0.35) KCNN4CDK9CCNT1HTR2CDRD2
SCHEMBL985998 0.79 KCNN4 (0.37) KCNN4CDK9CCNT1
SCHEMBL13593450 0.76 KCNN4 (0.37) KCNN4
SCHEMBL987831 0.76 KCNN4 (0.34) KCNN4CDK9CCNT1
SCHEMBL987834 0.76 KCNN4 (0.34) KCNN4CDK9CCNT1
SCHEMBL4403806 0.76 GRM1 (0.35) KCNN4CDK9CCNT1MAP4K4
SCHEMBL985522 0.75 UCHL1 (0.35) KCNN4CDK9CCNT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed